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2D Structure
Also known as: 64425-90-7, Djj95fjp1h, Choline magnesium salicylate, Cholinemagnesiumtrisalicylate, Trisalicylate-choline, Tegunor
Molecular Formula
C26H29MgNO10
Molecular Weight
539.8  g/mol
InChI Key
FQCQGOZEWWPOKI-UHFFFAOYSA-K
FDA UNII
DJJ95FJP1H

Choline Magnesium Trisalicylate is a nonsteroidal anti-inflammatory drug (NSAID) belonging to the salicylate family. Choline magnesium trisalicylate inhibits inflammation-related prostaglandin synthesis. This agent's analgesic effect is mediated through peripheral and central pathways, resulting in a decrease in pain perception; its antipyretic effect is mediated via the hypothalamic heat regulation center. (NCI04)
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
magnesium;2-carboxyphenolate;2-hydroxyethyl(trimethyl)azanium
2.1.2 InChI
InChI=1S/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3
2.1.3 InChI Key
FQCQGOZEWWPOKI-UHFFFAOYSA-K
2.1.4 Canonical SMILES
C[N+](C)(C)CCO.C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].[Mg+2]
2.2 Other Identifiers
2.2.1 UNII
DJJ95FJP1H
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Tegunor

2. Tricosal

3. Trilisate

2.3.2 Depositor-Supplied Synonyms

1. 64425-90-7

2. Djj95fjp1h

3. Choline Magnesium Salicylate

4. Cholinemagnesiumtrisalicylate

5. Trisalicylate-choline

6. Tegunor

7. Tricolsal

8. Unii-djj95fjp1h

9. Tricosal (tn)

10. Choline Mixture With Magnesium Salicylate

11. Dtxsid901344133

12. Db01401

13. Nsc 751675

14. D07694

15. Choline Magnesium Trisalicylate [who-dd]

16. Q20817211

17. ((1,2-ethanediylbis(carbamodithioato))(2-))manganese, Mixt. With ((1,2-ethanediylbis(carbamodithioato))(2-))zinc & 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl 2-buten Oate

18. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, 2-hydroxybenzoate (1:1), Mixt. With (t-4)-bis(2-(hydroxy-.kappa.o)benzoato-.kappa.o)magnesium

19. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, Salt With 2-hydroxybenzoic Acid (1:1), Mixt. With 2-hydroxybenzoic Acid Magnesium Salt (2:1)

2.4 Create Date
2011-12-26
3 Chemical and Physical Properties
Molecular Weight 539.8 g/mol
Molecular Formula C26H29MgNO10
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass539.1641878 g/mol
Monoisotopic Mass539.1641878 g/mol
Topological Polar Surface Area201 Ų
Heavy Atom Count38
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5
4 Drug and Medication Information
4.1 Drug Indication

Choline magnesium trisalicylate is used to reduce pain and inflammation caused by conditions such as arthritis. This medication is also used to treat fever in adults.


5 Pharmacology and Biochemistry
5.1 Pharmacology

Trisalicylate-choline is a non-steroidal anti-inflammatory drug (NSAID) that contains a combination of choline salicylate and magnesium salicylate. Does not affect platelet aggregation.


5.2 MeSH Pharmacological Classification

Analgesics

Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)


Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)


5.3 Absorption, Distribution and Excretion

Route of Elimination

renal


5.4 Mechanism of Action

Inhibits prostaglandin synthesis; acts on the hypothalamus heat-regulating center to reduce fever; blocks the generation of pain impulses